N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine

C62H50N2 — CID 145093930

About N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine

N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine (PubChem CID 145093930) has the molecular formula C62H50N2 and a molecular weight of 823.10 g/mol. Its IUPAC name is N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
• PubChem CID: 145093930
• Molecular Formula: C62H50N2
• Molecular Weight: 823.10 g/mol
• Exact Mass: 822.40
• IUPAC Name: N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
• SMILES: C/C=C\c1c(C)cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C=CCC5)cc3)c2)cc1
• InChI: InChI=1S/C62H50N2/c1-3-15-59-45(2)16-12-26-61(59)63(55-36-28-48(29-37-55)46-17-6-4-7-18-46)56-40-32-50(33-41-56)53-23-13-24-54(44-53)51-34-42-58(43-35-51)64(62-27-14-22-52-21-10-11-25-60(52)62)57-38-30-49(31-39-57)47-19-8-5-9-20-47/h3-9,11-20,22-44H,10,21H2,1-2H3/b15-3-
• InChIKey: HBSJXXSGULIMHM-CQPUUCJISA-N
• XLogP: 17.60
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.10
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine?

The IUPAC name of N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine (CID 145093930) is N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine.

What is the SMILES notation for N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine?

The canonical SMILES for N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine is C/C=C\c1c(C)cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C=CCC5)cc3)c2)cc1.

What is the InChIKey of N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine?

The InChIKey is HBSJXXSGULIMHM-CQPUUCJISA-N. The full InChI is InChI=1S/C62H50N2/c1-3-15-59-45(2)16-12-26-61(59)63(55-36-28-48(29-37-55)46-17-6-4-7-18-46)56-40-32-50(33-41-56)53-23-13-24-54(44-53)51-34-42-58(43-35-51)64(62-27-14-22-52-21-10-11-25-60(52)62)57-38-30-49(31-39-57)47-19-8-5-9-20-47/h3-9,11-20,22-44H,10,21H2,1-2H3/b15-3-.

What are the key properties of N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine?

N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine has a molecular weight of 823.10 g/mol, XLogP of 17.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 145093930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).